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Basic information
- CAS
113594-65-3- Standard SMILES
COc1ccc(OC(=O)CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1.Cl.Cl- InChIKey
QZGIZQDDNFIOJW-UHFFFAOYSA-N- Molecular formula
- C23H32Cl2N2O6
- Average molar mass
- 503.4 g/mol
- Monoisotopic mass
- 502.1637421
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-((2,3,4-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, dihydrochloride
- IUPAC
- (4-methoxyphenyl) 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate;dihydrochloride
Names & synonyms
1-Piperazineacetic acid, 4-((2,3,4-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, dihydrochloride1-((4-Methoxyphenoxy)carbonylmethyl)-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride113594-65-3DTXSID001504731-[(4-methoxyphenoxy)carbonylmethyl]-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochlorideRefChem:233376DTXCID2072964SCHEMBL10350365QZGIZQDDNFIOJW-UHFFFAOYSA-N4-Methoxyphenyl {4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
113594-65-3- PubChem CID
- 3087212
- DTXSID
DTXSID00150473
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 534
Related reactions
1 records
Compound notes
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